Binding information for 1vyg_ligand_4_220.mol2(FDBF00080)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vyg_ligand_4_220.mol2 | 1vyg | 1 | -6.37 | C(=C)C/C=C\CC | 7 |
Structure and binding mode of 1vyg_ligand_4_220.mol2(FDBF00080)
Important binding residues for 1vyg_ligand_4_220.mol2(FDBF00080)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vyg | PHE16 | -0.79 | 0.10 | -0.69 | 0.37 | -0.33 |
| 1vyg | MET20 | -0.56 | -0.05 | -0.61 | 0.09 | -0.52 |
| 1vyg | ILE105 | -0.60 | -0.02 | -0.62 | -0.04 | -0.65 |
| 1vyg | VAL118 | -0.88 | -0.05 | -0.93 | -0.03 | -0.97 |
